CID 522674

Thiophene-2-thiol

Structural Information

Molecular Formula

C₄H₄S₂

SMILES

C1=CSC(=C1)S

InChI

InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H

InChIKey

SWEDAZLCYJDAGW-UHFFFAOYSA-N

Compound name

thiophene-2-thiol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 4782
Patents: 115.97544 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	116.982716	117.0
[M+Na]+	138.964658	127.5
[M-H]-	114.968164	121.6
[M+NH4]+	134.009263	142.4
[M+K]+	154.938598	125.1
[M+H-H2O]+	98.972700	112.7
[M+HCOO]-	160.973641	132.8
[M+CH3COO]-	174.989291	165.9
[M+Na-2H]-	136.950106	119.1
[M]+	115.97489142	119.1
[M]-	115.97598858	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe